4RPV
co-crystal structure of Pim1 with compound 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 65 |
| Unit cell lengths | 100.091, 100.091, 81.205 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 3.050 |
| Rwork | 0.229 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.160 |
| High resolution limit [Å] | 3.050 | 3.050 |
| Rmerge | 0.137 | 0.618 |
| Number of reflections | 8901 | |
| Completeness [%] | 98.3 | 99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 100 mM Tris, pH 8.0, 1.0 M LiCl, 10-20% PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
